(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine

C11H20FNO2 — CID 121261808

IUPAC(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C11H20FNO2/c1-8(2)15-11-3-4-13(5-10(11)12)9-6-14-7-9/h8-11H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyAGIKVGIZLMTMTI-MNOVXSKESA-N
MW217.28 g/mol
LogP1.22
Rot. Bonds3

About (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine

(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine (PubChem CID 121261808) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine
PubChem CID121261808
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C11H20FNO2/c1-8(2)15-11-3-4-13(5-10(11)12)9-6-14-7-9/h8-11H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyAGIKVGIZLMTMTI-MNOVXSKESA-N
XLogP1.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine (CID 121261808) is (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine is CC(C)O[C@H]1CCN(C2COC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine?
The InChIKey is AGIKVGIZLMTMTI-MNOVXSKESA-N. The full InChI is InChI=1S/C11H20FNO2/c1-8(2)15-11-3-4-13(5-10(11)12)9-6-14-7-9/h8-11H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine?
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine has a molecular weight of 217.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine is sourced from PubChem (CID 121261808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).